1-methoxy-1-oxidanylidene-3-(3-phenylbutylamino)propane-2-sulfonic acid

Systemtic Name: 1-methoxy-1-oxidanylidene-3-(3-phenylbutylamino)propane-2-sulfonic acid Openeye Name: 1-methoxy-1-oxo-3-(3-phenylbutylamino)propane-2-sulfonic acid CAS Name: 1-methoxy-1-oxo-3-(3-phenylbutylamino)-2-propanesulfonic acid IUPAC Name: 1-methoxy-1-oxo-3-(3-phenylbutylamino)propane-2-sulfonic acid Traditional Name: 1-keto-1-methoxy-3-(3-phenylbutylamino)propane-2-sulfonic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC(C(=O)OC)S(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(CCNCC(C(=O)OC)S(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C14H21NO5S/c1-11(12-6-4-3-5-7-12)8-9-15-10-13(14(16)20-2)21(17,18)19/h3-7,11,13,15H,8-10H2,1-2H3,(H,17,18,19)